N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide

C21H24N2O3 — CID 55654163

IUPACN-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide
SMILESCN(CCCOc1ccccc1)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H24N2O3/c1-22(13-7-15-26-19-10-3-2-4-11-19)21(25)17-8-5-9-18(16-17)23-14-6-12-20(23)24/h2-5,8-11,16H,6-7,12-15H2,1H3
InChIKeyXEARZMRSGWNJEH-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.35
Rot. Bonds7

About N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide

N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide (PubChem CID 55654163) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide
PubChem CID55654163
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC NameN-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide
SMILESCN(CCCOc1ccccc1)C(=O)c1cccc(N2CCCC2=O)c1
InChIInChI=1S/C21H24N2O3/c1-22(13-7-15-26-19-10-3-2-4-11-19)21(25)17-8-5-9-18(16-17)23-14-6-12-20(23)24/h2-5,8-11,16H,6-7,12-15H2,1H3
InChIKeyXEARZMRSGWNJEH-UHFFFAOYSA-N
XLogP3.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-(2-methylpropyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 134058787
4-[3-(2-oxopyrrolidin-1-yl)phenoxy]butanoic acid
CID 43665961
[2-oxo-2-(2-phenoxyethylamino)ethyl] 3-(2-oxopyrrolidin-1-yl)benzoate
CID 8728487
N-[(2-bromophenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 29213246
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9162156
N-[2-(4-methylphenoxy)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9425252
1-[3-[3-(4-methoxyphenoxy)propoxy]phenyl]pyrrolidin-2-one
CID 39992148
N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174646
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9228105
3-(2-oxopiperidin-1-yl)benzoic acid
CID 24689039
(2R)-2-[3-(2-oxopyrrolidin-1-yl)phenoxy]propanoic acid
CID 103337920

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide?
The IUPAC name of N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide (CID 55654163) is N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide.
What is the SMILES notation for N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide?
The canonical SMILES for N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide is CN(CCCOc1ccccc1)C(=O)c1cccc(N2CCCC2=O)c1.
What is the InChIKey of N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide?
The InChIKey is XEARZMRSGWNJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-22(13-7-15-26-19-10-3-2-4-11-19)21(25)17-8-5-9-18(16-17)23-14-6-12-20(23)24/h2-5,8-11,16H,6-7,12-15H2,1H3.
What are the key properties of N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide?
N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide has a molecular weight of 352.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-oxopyrrolidin-1-yl)-N-(3-phenoxypropyl)benzamide is sourced from PubChem (CID 55654163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).